SCHEMBL22190055

SCHEMBL22190055

NCc1cc(C(=O)O)ccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
SRD5A2 P31213 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
NR4A2 P43354 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
BACE1 P56817 1/20 0.44
SLC1A3 P43003 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29771953 0.82 CNR2 (0.58) IP6K1IP6K3IP6K2SRD5A2MEN1
SCHEMBL23877803 0.81 CFD (0.47) ROCK2
SCHEMBL22442328 0.81 AKR1C3 (0.62) IP6K1IP6K3IP6K2SRD5A2MEN1
SCHEMBL29784385 0.81 AKR1C3 (0.62) IP6K1IP6K3IP6K2SRD5A2MEN1
SCHEMBL12991768 0.80 TRPV1 (0.53) KDM4EALDH1A1PTGDR2
SCHEMBL179120 0.80 SLC1A3 (0.54) IP6K1IP6K3IP6K2SRD5A2MEN1
SCHEMBL15863720 0.77 DPP4 (0.56) BACE1PRMT3CARM1PRMT6PRMT1
SCHEMBL2744459 0.77 SLC1A3 (0.54) IP6K1IP6K3IP6K2SRD5A2MEN1
SCHEMBL30393660 0.77 RXRA (0.63) IP6K1IP6K3IP6K2SRD5A2MEN1
SCHEMBL177461 0.77 RXRA (0.63) IP6K1IP6K3IP6K2SRD5A2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US disclosed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 IP6K1 3740/4885IP6K3 3253/4885IP6K2 3276/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 IP6K1 3886/4885IP6K3 3418/4885IP6K2 3563/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 IP6K1 3740/4885IP6K3 3253/4885IP6K2 3276/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 IP6K1 3740/4885IP6K3 3253/4885IP6K2 3276/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 IP6K1 3660/4885IP6K3 3209/4885IP6K2 3210/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.